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95-76-1

3,4-二氯苯胺(95-76-1)核磁图(1HNMR)

产品名称:3,4-二氯苯胺

CAS:95-76-1

分子式:C6H5Cl2N

分子量: 162.02

InChI:InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(Cl)C(Cl)=C1

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    Mass

    MS-NW-1634          
    3,4-dichloroaniline
    C6H5Cl2N            (Mass of molecular ion:    161)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          28.0       2.9
          37.0       2.4
          38.0       2.2
          39.0       2.6
          41.0       3.9
          44.5       4.0
          45.5       1.3
          49.0       1.1
          50.0       1.7
          52.0       3.1
          61.0       3.4
          62.0       5.5
          62.5       4.9
          63.0      11.9
          63.5       1.6
          64.0       3.0
          65.0       2.5
          72.0       1.7
          73.0       5.0
          74.0       1.7
          75.0       1.9
          80.5       4.8
          81.5       2.9
          88.0       1.0
          89.0       2.3
          90.0      16.2
          91.0       4.8
          97.0       1.6
          98.0       1.9
          99.0      16.5
         100.0       1.8
         101.0       5.8
         124.0       1.1
         125.0       6.5
         126.0      11.3
         127.0       2.9
         128.0       3.6
         133.0       3.4
         134.0       4.1
         135.0       2.6
         136.0       2.6
         160.0       1.3
         161.0     100.0
         162.0       7.8
         163.0      63.5
         164.0       4.6
         165.0      10.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H5 Cl2 N 0.041 g : 0.5 ml CDCl3
    3,4-dichloroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.148 B 6.735 C 6.482 D 3.70 J(A,C)=8.6HZ J(B,C)=2.7HZ

         Hz     ppm     Int.
    

        645.19   7.204    719
        636.63   7.109    949
        604.75   6.753    758
        602.13   6.724   1000
        585.63   6.539    597
        582.94   6.509    497
        577.06   6.444    453
        574.38   6.414    392
        330.94   3.696    240
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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